CID 86289133

Dtdp-beta-l-evernitrose(2-)

Structural Information

Molecular Formula
C18H29N3O15P2
SMILES
C[C@H]1[C@@H]([C@@](C[C@H](O1)OP(=O)(O)OP(=O)(O)OC[C@@H]2[C@H](C[C@@H](O2)N3C=C(C(=O)NC3=O)C)O)(C)[N+](=O)[O-])OC
InChI
InChI=1S/C18H29N3O15P2/c1-9-7-20(17(24)19-16(9)23)13-5-11(22)12(34-13)8-32-37(27,28)36-38(29,30)35-14-6-18(3,21(25)26)15(31-4)10(2)33-14/h7,10-15,22H,5-6,8H2,1-4H3,(H,27,28)(H,29,30)(H,19,23,24)/t10-,11-,12+,13+,14+,15-,18-/m0/s1
InChIKey
UOKMGZNPGFVBLH-JGQKHYKVSA-N
Compound name
[hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] [(2R,4S,5R,6S)-5-methoxy-4,6-dimethyl-4-nitrooxan-2-yl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

0
Patents

589.10736 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 590.11464 210.4
[M+Na]+ 612.09658 212.5
[M+NH4]+ 607.14118 210.7
[M+K]+ 628.07052 214.6
[M-H]- 588.10008 203.9
[M+Na-2H]- 610.08203 220.3
[M]+ 589.10681 208.5
[M]- 589.10791 208.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.